Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.42 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9301679 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9416609 | 0.92 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9416612 | 0.92 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9301060 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8557873 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8557869 | 0.88 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL10170682 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL10600188 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL9663206 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8829178 | 0.85 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360813-A | Inhibitors of ergosterol biosynthesis | J. URIACH & CIA. S.A. (ES) | 1994-11-01 | — | — | US | disclosed |